2-methylsulfonothioyloxyethanamine

C3H9NO2S2 — CID 53443082

IUPAC2-methylsulfonothioyloxyethanamine
SMILESCS(=O)(=S)OCCN
InChIInChI=1S/C3H9NO2S2/c1-8(5,7)6-3-2-4/h2-4H2,1H3
InChIKeyHKERMLQDWIEJQS-UHFFFAOYSA-N
MW155.24 g/mol
LogP-0.75
Rot. Bonds3

About 2-methylsulfonothioyloxyethanamine

2-methylsulfonothioyloxyethanamine (PubChem CID 53443082) has the molecular formula C3H9NO2S2 and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-methylsulfonothioyloxyethanamine.

Molecular Properties

Compound Name2-methylsulfonothioyloxyethanamine
PubChem CID53443082
Molecular FormulaC3H9NO2S2
Molecular Weight155.24 g/mol
Exact Mass155.01
IUPAC Name2-methylsulfonothioyloxyethanamine
SMILESCS(=O)(=S)OCCN
InChIInChI=1S/C3H9NO2S2/c1-8(5,7)6-3-2-4/h2-4H2,1H3
InChIKeyHKERMLQDWIEJQS-UHFFFAOYSA-N
XLogP-0.75
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonothioyloxyethanamine?
The IUPAC name of 2-methylsulfonothioyloxyethanamine (CID 53443082) is 2-methylsulfonothioyloxyethanamine.
What is the SMILES notation for 2-methylsulfonothioyloxyethanamine?
The canonical SMILES for 2-methylsulfonothioyloxyethanamine is CS(=O)(=S)OCCN.
What is the InChIKey of 2-methylsulfonothioyloxyethanamine?
The InChIKey is HKERMLQDWIEJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO2S2/c1-8(5,7)6-3-2-4/h2-4H2,1H3.
What are the key properties of 2-methylsulfonothioyloxyethanamine?
2-methylsulfonothioyloxyethanamine has a molecular weight of 155.24 g/mol, XLogP of -0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonothioyloxyethanamine is sourced from PubChem (CID 53443082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).